SCHEMBL6935209

SCHEMBL6935209

COc1cccc(Sc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
EDNRA P25101 3/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CHEK2 O96017 1/20 0.52
MGLL Q99685 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP2C8 P10632 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
RXRA P19793 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
RAB9A P51151 1/20 0.48
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4805875 0.88 HPGD (0.62) MTNR1AMTNR1BEDNRACHEK2MGLL
SCHEMBL2733151 0.85 HSD17B10 (0.51) MTNR1AMTNR1BKDM4ERXRAALDH1A1
SCHEMBL10709610 0.85 MTNR1A (0.57) MTNR1AMTNR1BEDNRACA1CA2
SCHEMBL2887753 0.84 RAB9A (0.55) MTNR1AMTNR1BCA1CA2KDM4E
SCHEMBL6932815 0.83 CA1 (0.77) CA1CA2KDM4ERXRAALDH1A1
SCHEMBL13163776 0.83 EDNRA (0.54) MTNR1AMTNR1BEDNRACA1CA2
SCHEMBL9770219 0.81 HTR2C (0.55) MTNR1AMTNR1BEDNRACA1CA2
SCHEMBL3164341 0.81 ACHE (0.54) MTNR1AMTNR1BEDNRACA1CA2
SCHEMBL31425668 0.81 ACHE (0.54) MTNR1AMTNR1BEDNRACA1CA2
SCHEMBL685431 0.81 MGLL (0.53) MGLLKDM4ERXRAALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086079-B1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA A S (CZ) 2003-05-07 EP disclosed
US-6303612-B1 USED AS ANTIINFLAMMATORY AND/OR ANTIASTHMATIC AGENTS LECIVA, A.S. (CZ) 2001-10-16 US disclosed
EP-1086079-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS Leciva, A.S. (CZ) 2001-03-28 EP disclosed
WO-1999067208-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA, A.S. (CZ) 1999-12-29 WO disclosed